Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface
The effect of the number of carboxyl groups of fatty acids in the compound collector on the flotation mechanism of low-rank coal is still limited. Density functional theory (DFT) combined with Fourier infrared spectroscopy (FTIR) and Zeta potential was used to study the mechanism of the weak interac...
Saved in:
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | zho |
| Published: |
Editorial Office of Journal of China Coal Society
2025-06-01
|
| Series: | Meitan xuebao |
| Subjects: | |
| Online Access: | http://www.mtxb.com.cn/article/doi/10.13225/j.cnki.jccs.2024.0478 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849430868778549248 |
|---|---|
| author | Zechen LIU Xianshu DONG Yuping FAN Yinfei LIAO Yijun CAO |
| author_facet | Zechen LIU Xianshu DONG Yuping FAN Yinfei LIAO Yijun CAO |
| author_sort | Zechen LIU |
| collection | DOAJ |
| description | The effect of the number of carboxyl groups of fatty acids in the compound collector on the flotation mechanism of low-rank coal is still limited. Density functional theory (DFT) combined with Fourier infrared spectroscopy (FTIR) and Zeta potential was used to study the mechanism of the weak interaction between low-rank coal-water interface molecules and the compound collector composed of fatty acids (n-capric acid, sebacic acid) and dodecane, respectively. DFT calculation results show that the hydrogen bonding, charge transfer, and interaction energy between sebacic acid molecule with two carboxyl groups and benzoic acid/phenol/water molecule are stronger than that of the n-capric acid molecule with one carboxyl group, and the interaction between the sebacic acid molecule and water molecule is stronger than that between sebacic acid molecule and benzene/benzoic acid molecule. It shows that the interaction between carboxylic acid molecules with more carboxylic groups and the surface of low-rank coal is greatly affected by water. The results of FTIR and Zeta potential show that the number of carboxyl groups has little effect on the adsorption of the hydrophobic water level point of low-rank coal, and the hydrogen bond between the compound collector with two carboxyl groups and the low-rank coal is stronger, and the effect on the potential value of the coal sample surface is small, indicating that the hydrogen bond between carboxyl groups and water molecules of some sebacic acid molecules leads to less adsorption of the compound collector containing sebacic acid on the surface of low-rank coal. At the same time, the compound collector containing sebacic acid can obtain lower ash content of clean coal, but sacrifice more clean coal yield, while the compound collector containing n-capric acid has both collector performance and better selectivity. It shows that in the actual flotation process, the strong hydrogen bond and the electrostatic interaction between sebacic acid and water weaken the collection performance of its compound collector for low-rank coal, which also confirms the research results of DFT, FTIR, and Zeta. |
| format | Article |
| id | doaj-art-11a04f5749d143fea6871ca7b4ffdbf4 |
| institution | Kabale University |
| issn | 0253-9993 |
| language | zho |
| publishDate | 2025-06-01 |
| publisher | Editorial Office of Journal of China Coal Society |
| record_format | Article |
| series | Meitan xuebao |
| spelling | doaj-art-11a04f5749d143fea6871ca7b4ffdbf42025-08-20T03:27:51ZzhoEditorial Office of Journal of China Coal SocietyMeitan xuebao0253-99932025-06-015063150316010.13225/j.cnki.jccs.2024.04782024-0478Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interfaceZechen LIU0Xianshu DONG1Yuping FAN2Yinfei LIAO3Yijun CAO4School of Mining Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaSchool of Mining Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaSchool of Mining Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaChinese National Engineering Research Center of Coal Preparation and Purification, China University of Mining and Technology, Xuzhou 221116, ChinaChinese National Engineering Research Center of Coal Preparation and Purification, China University of Mining and Technology, Xuzhou 221116, ChinaThe effect of the number of carboxyl groups of fatty acids in the compound collector on the flotation mechanism of low-rank coal is still limited. Density functional theory (DFT) combined with Fourier infrared spectroscopy (FTIR) and Zeta potential was used to study the mechanism of the weak interaction between low-rank coal-water interface molecules and the compound collector composed of fatty acids (n-capric acid, sebacic acid) and dodecane, respectively. DFT calculation results show that the hydrogen bonding, charge transfer, and interaction energy between sebacic acid molecule with two carboxyl groups and benzoic acid/phenol/water molecule are stronger than that of the n-capric acid molecule with one carboxyl group, and the interaction between the sebacic acid molecule and water molecule is stronger than that between sebacic acid molecule and benzene/benzoic acid molecule. It shows that the interaction between carboxylic acid molecules with more carboxylic groups and the surface of low-rank coal is greatly affected by water. The results of FTIR and Zeta potential show that the number of carboxyl groups has little effect on the adsorption of the hydrophobic water level point of low-rank coal, and the hydrogen bond between the compound collector with two carboxyl groups and the low-rank coal is stronger, and the effect on the potential value of the coal sample surface is small, indicating that the hydrogen bond between carboxyl groups and water molecules of some sebacic acid molecules leads to less adsorption of the compound collector containing sebacic acid on the surface of low-rank coal. At the same time, the compound collector containing sebacic acid can obtain lower ash content of clean coal, but sacrifice more clean coal yield, while the compound collector containing n-capric acid has both collector performance and better selectivity. It shows that in the actual flotation process, the strong hydrogen bond and the electrostatic interaction between sebacic acid and water weaken the collection performance of its compound collector for low-rank coal, which also confirms the research results of DFT, FTIR, and Zeta.http://www.mtxb.com.cn/article/doi/10.13225/j.cnki.jccs.2024.0478low-rank coalflotationcompound collectorthe number of carboxyl groupsdensity functional theoryinterface interaction |
| spellingShingle | Zechen LIU Xianshu DONG Yuping FAN Yinfei LIAO Yijun CAO Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface Meitan xuebao low-rank coal flotation compound collector the number of carboxyl groups density functional theory interface interaction |
| title | Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface |
| title_full | Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface |
| title_fullStr | Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface |
| title_full_unstemmed | Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface |
| title_short | Influence mechanism of carboxyl groups of fatty acids on the weak interaction of low-rank coal-water interface |
| title_sort | influence mechanism of carboxyl groups of fatty acids on the weak interaction of low rank coal water interface |
| topic | low-rank coal flotation compound collector the number of carboxyl groups density functional theory interface interaction |
| url | http://www.mtxb.com.cn/article/doi/10.13225/j.cnki.jccs.2024.0478 |
| work_keys_str_mv | AT zechenliu influencemechanismofcarboxylgroupsoffattyacidsontheweakinteractionoflowrankcoalwaterinterface AT xianshudong influencemechanismofcarboxylgroupsoffattyacidsontheweakinteractionoflowrankcoalwaterinterface AT yupingfan influencemechanismofcarboxylgroupsoffattyacidsontheweakinteractionoflowrankcoalwaterinterface AT yinfeiliao influencemechanismofcarboxylgroupsoffattyacidsontheweakinteractionoflowrankcoalwaterinterface AT yijuncao influencemechanismofcarboxylgroupsoffattyacidsontheweakinteractionoflowrankcoalwaterinterface |